Molecule

ID:13720

General Information
Structure
MolImage
Molecular Formula
C₇H₉NS
Molecular Mass
139.21806
Exact Mass
139.04557029
Charge
0
InChI
InChI=1S/C7H9NS/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3
InChIKey
KCHLDNLIJVSRPK-UHFFFAOYSA-N
Canonic Smiles
CSc1cccc(c1)N
Isomeric Smiles
c1cc(cc(c1)N)SC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7561336
LogD (pH = 7.4)
1.7723266
Log P
1.772537
Molar Refractivity
43.5173
Polarizability
16.368689
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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